Items related to Modelling Molecular Structures (Wiley Tutorial Series...
Synopsis
Molecular modelling has come a long way since the days of plastic atoms, mechanical springs and green tubing. This study guides the reader through the maze of computer modelling. It provides an up-to-date treatment of the subject, discussing molecular mechanics, empirical, semi-empirical and Ab Initio methods. Numerous worked examples and illustrations are included.
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Review
"this excellent handbook should be on the desk of all interested in the use of computational methods in chemistry..."
––Applied Organometallic Chemistry, March 2001
From the Back Cover
The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity. Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy–to–read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree–Fock self–consistent field model, providing background information and critically discussing the latest techniques in the field. Covering developments in the field since the first publication, this title also includes updated text and new material on:
∗ Molecular Dynamics
∗ Dealing with the Solvent
This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.
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